==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-AUG-98 2MAN . COMPND 2 MOLECULE: PROTEIN (BETA-MANNANASE); . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOBIFIDA FUSCA; . AUTHOR M.HILGE,S.M.GLOOR,K.PIONTEK . 298 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 1 1 0 1 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 3 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A A 0 0 91 0, 0.0 2,-0.3 0, 0.0 115,-0.2 0.000 360.0 360.0 360.0 155.2 30.6 5.6 32.6 2 2 A T + 0 0 68 1,-0.1 3,-0.1 156,-0.1 156,-0.1 -0.643 360.0 167.0 -87.4 146.5 28.2 8.5 33.2 3 3 A G + 0 0 0 1,-0.7 116,-0.3 115,-0.3 -1,-0.1 0.335 66.7 26.7-117.9-100.6 26.2 9.9 30.3 4 4 A L S S+ 0 0 0 114,-2.3 -1,-0.7 9,-0.1 2,-0.3 -0.381 83.6 162.2 -59.8 139.5 23.3 12.2 31.1 5 5 A H E -A 12 0A 43 7,-2.5 7,-3.0 -3,-0.1 2,-0.4 -0.968 37.3-103.6-156.3 172.5 24.0 13.7 34.5 6 6 A V E +A 11 0A 13 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.845 30.2 172.8-108.0 134.1 23.1 16.5 36.8 7 7 A K E > S-A 10 0A 111 3,-2.4 3,-1.7 -2,-0.4 -2,-0.0 -0.991 72.1 -13.3-140.6 125.9 25.1 19.7 37.4 8 8 A N T 3 S- 0 0 136 -2,-0.4 3,-0.1 1,-0.3 210,-0.1 0.891 128.8 -51.2 52.1 42.9 23.9 22.6 39.5 9 9 A G T 3 S+ 0 0 15 1,-0.2 212,-0.4 209,-0.1 2,-0.3 0.609 119.4 97.6 77.2 9.4 20.3 21.4 39.6 10 10 A R E < S-A 7 0A 61 -3,-1.7 -3,-2.4 210,-0.1 2,-0.4 -0.862 72.7-109.1-129.7 165.3 20.0 20.9 35.8 11 11 A L E +A 6 0A 18 8,-0.4 8,-2.8 -2,-0.3 2,-0.3 -0.807 36.4 179.4-102.7 130.0 20.3 18.0 33.3 12 12 A Y E -AB 5 18A 36 -7,-3.0 -7,-2.5 -2,-0.4 6,-0.2 -0.975 28.1-125.5-131.2 144.3 23.3 17.7 30.9 13 13 A E > - 0 0 8 4,-3.3 3,-2.7 -2,-0.3 -9,-0.1 -0.466 46.1 -99.4 -76.1 161.8 24.5 15.4 28.2 14 14 A A T 3 S+ 0 0 59 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 0.700 122.6 62.3 -56.7 -23.1 28.1 14.1 28.8 15 15 A N T 3 S- 0 0 103 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.335 123.2-103.4 -84.3 0.5 29.5 16.7 26.3 16 16 A G S < S+ 0 0 44 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.541 75.7 139.7 93.2 7.2 28.2 19.4 28.7 17 17 A Q - 0 0 103 -4,-0.1 -4,-3.3 1,-0.1 -1,-0.3 -0.767 55.0-120.5 -87.1 132.2 25.2 20.4 26.6 18 18 A E B -B 12 0A 57 -2,-0.4 2,-0.5 -6,-0.2 -6,-0.3 -0.388 24.8-150.1 -69.6 143.2 22.1 21.1 28.7 19 19 A F - 0 0 11 -8,-2.8 2,-0.6 -2,-0.1 -8,-0.4 -0.972 10.0-167.5-122.0 122.0 19.1 18.9 27.9 20 20 A I - 0 0 46 -2,-0.5 273,-0.4 273,-0.2 2,-0.1 -0.956 23.6-132.8-112.8 106.8 15.6 20.0 28.3 21 21 A I + 0 0 3 -2,-0.6 227,-2.0 271,-0.1 2,-0.3 -0.380 29.9 171.4 -62.1 132.2 13.1 17.1 28.1 22 22 A R E +c 248 0B 1 225,-0.2 25,-2.4 -2,-0.1 26,-0.9 -0.820 34.0 116.1-141.9 89.3 10.1 17.7 25.8 23 23 A G E -cd 249 48B 0 225,-2.1 227,-2.2 -2,-0.3 2,-0.3 -0.702 50.4-122.5-146.2-168.5 8.3 14.4 25.4 24 24 A V E -cd 250 49B 0 24,-1.0 26,-2.4 225,-0.3 2,-0.3 -0.928 28.5-110.7-141.7 158.3 5.3 12.2 25.9 25 25 A S E - d 0 50B 0 225,-1.8 228,-2.9 -2,-0.3 227,-0.4 -0.769 24.8-160.0 -90.6 149.8 4.6 8.9 27.5 26 26 A H E - d 0 51B 0 24,-2.6 2,-2.2 -2,-0.3 26,-2.2 -0.992 19.8-132.1-131.0 127.3 3.8 5.8 25.4 27 27 A P >> + 0 0 3 0, 0.0 4,-1.5 0, 0.0 3,-0.7 -0.295 42.7 157.4 -80.1 59.1 2.0 2.8 26.9 28 28 A H T 34 + 0 0 3 -2,-2.2 3,-0.4 1,-0.2 6,-0.2 0.864 67.0 56.4 -48.6 -49.2 4.3 0.1 25.6 29 29 A N T 34 S+ 0 0 20 23,-1.8 -1,-0.2 1,-0.2 31,-0.2 0.847 114.8 37.5 -55.7 -42.5 3.5 -2.5 28.2 30 30 A W T <4 S+ 0 0 80 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.598 126.9 36.3 -86.6 -17.7 -0.2 -2.5 27.4 31 31 A Y >< + 0 0 64 -4,-1.5 3,-1.9 -3,-0.4 -1,-0.2 -0.436 61.0 158.5-135.0 65.3 0.2 -2.0 23.7 32 32 A P T 3 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.774 72.7 64.7 -60.3 -24.4 3.2 -4.0 22.5 33 33 A Q T 3 S+ 0 0 120 1,-0.2 3,-0.3 -3,-0.1 2,-0.3 0.624 87.4 73.4 -73.2 -14.0 1.9 -4.1 18.9 34 34 A H X + 0 0 43 -3,-1.9 3,-1.6 1,-0.2 -1,-0.2 -0.210 48.2 134.0-101.8 51.7 2.2 -0.3 18.5 35 35 A T T > + 0 0 51 -3,-0.5 3,-1.2 1,-0.3 4,-0.4 0.674 59.8 78.1 -73.7 -7.7 6.0 0.1 18.2 36 36 A Q T 3> S+ 0 0 77 -3,-0.3 4,-2.1 1,-0.3 3,-0.4 0.694 74.4 81.5 -68.3 -20.7 5.5 2.5 15.3 37 37 A A H <> S+ 0 0 0 -3,-1.6 4,-3.0 1,-0.2 5,-0.3 0.828 79.8 64.2 -52.5 -38.0 4.6 5.1 18.0 38 38 A F H <> S+ 0 0 0 -3,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.950 108.4 38.7 -55.2 -48.6 8.3 5.7 18.6 39 39 A A H > S+ 0 0 43 -4,-0.4 4,-2.1 -3,-0.4 -1,-0.2 0.908 115.6 53.7 -69.7 -36.3 8.8 7.1 15.0 40 40 A D H X S+ 0 0 39 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.890 108.3 49.4 -62.2 -42.3 5.4 8.9 15.1 41 41 A I H ><>S+ 0 0 0 -4,-3.0 5,-1.5 1,-0.2 3,-0.6 0.908 111.6 48.9 -64.1 -43.2 6.3 10.7 18.4 42 42 A K H ><5S+ 0 0 45 -4,-1.8 3,-2.1 -5,-0.3 -2,-0.2 0.889 102.5 63.5 -61.5 -38.1 9.7 11.8 16.9 43 43 A S H 3<5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 101.0 51.7 -62.4 -26.4 7.9 13.0 13.7 44 44 A H T <<5S- 0 0 19 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.374 126.9 -97.8 -91.6 5.4 6.0 15.6 15.8 45 45 A G T < 5 + 0 0 31 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.380 68.5 149.4 102.6 -4.4 9.2 16.9 17.4 46 46 A A < - 0 0 1 -5,-1.5 -1,-0.3 1,-0.1 -23,-0.2 -0.261 29.5-164.3 -61.1 152.3 9.5 15.2 20.8 47 47 A N S S+ 0 0 2 -25,-2.4 33,-2.9 1,-0.2 2,-0.3 0.508 72.5 37.9-110.2 -8.2 13.1 14.6 22.0 48 48 A T E -de 23 80B 0 -26,-0.9 -24,-1.0 31,-0.3 2,-0.4 -0.996 59.8-160.6-141.3 148.6 12.1 12.1 24.7 49 49 A V E -de 24 81B 0 31,-2.2 33,-3.1 -2,-0.3 2,-0.6 -0.996 13.0-146.9-130.3 134.0 9.7 9.3 25.2 50 50 A R E -de 25 82B 0 -26,-2.4 -24,-2.6 -2,-0.4 2,-0.5 -0.891 23.2-151.9 -94.2 116.3 8.7 8.0 28.6 51 51 A V E -de 26 83B 0 31,-3.3 33,-2.0 -2,-0.6 2,-0.5 -0.871 7.9-134.3-101.5 127.2 8.0 4.2 28.1 52 52 A V E + e 0 84B 0 -26,-2.2 -23,-1.8 -2,-0.5 2,-0.3 -0.638 34.3 170.9 -78.5 116.8 5.6 2.3 30.3 53 53 A L E - e 0 85B 0 31,-2.5 33,-2.8 -2,-0.5 2,-0.4 -0.817 22.2-140.0-118.0 164.7 7.1 -1.0 31.5 54 54 A S - 0 0 0 -2,-0.3 8,-2.2 6,-0.3 31,-0.1 -0.967 10.0-154.1-125.3 144.7 6.0 -3.6 34.0 55 55 A N - 0 0 13 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 0.237 56.7-102.9 -94.9 7.7 8.1 -5.5 36.5 56 56 A G S S+ 0 0 38 4,-0.1 5,-0.1 1,-0.0 4,-0.0 0.494 97.2 106.2 90.1 3.4 5.5 -8.3 36.5 57 57 A V S S+ 0 0 57 3,-0.1 3,-0.1 1,-0.0 -1,-0.0 0.936 102.2 2.1 -78.8 -49.7 3.8 -7.4 39.8 58 58 A R S S+ 0 0 98 2,-0.0 2,-0.2 0, 0.0 -4,-0.1 0.804 138.1 20.2-107.6 -36.2 0.7 -6.0 38.4 59 59 A W S S- 0 0 72 1,-0.0 2,-0.5 -6,-0.0 -29,-0.1 -0.426 104.6 -61.0-118.0-163.9 1.0 -6.5 34.6 60 60 A S - 0 0 93 -2,-0.2 -6,-0.3 -31,-0.2 -4,-0.1 -0.701 60.5-108.2 -88.5 134.1 3.2 -8.8 32.5 61 61 A K - 0 0 91 -2,-0.5 2,-0.8 -6,-0.2 -6,-0.2 -0.193 18.5-133.6 -58.7 139.6 6.8 -8.3 32.9 62 62 A N - 0 0 6 -8,-2.2 -1,-0.1 4,-0.1 -33,-0.0 -0.838 31.4-147.0 -91.8 110.6 8.9 -6.7 30.1 63 63 A G >> - 0 0 26 -2,-0.8 4,-2.7 1,-0.1 3,-0.7 -0.163 26.0 -93.4 -73.6 170.8 11.9 -9.0 29.8 64 64 A P H 3> S+ 0 0 49 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.867 123.5 50.5 -51.1 -46.5 15.5 -8.0 28.9 65 65 A S H 3> S+ 0 0 107 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.855 111.6 49.0 -64.6 -35.2 15.1 -8.7 25.2 66 66 A D H <> S+ 0 0 53 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.943 113.2 46.7 -69.0 -46.5 11.9 -6.6 25.0 67 67 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.902 109.3 54.2 -63.2 -38.7 13.6 -3.8 26.9 68 68 A A H X S+ 0 0 40 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.894 108.1 51.2 -59.4 -38.8 16.6 -4.0 24.6 69 69 A N H X S+ 0 0 79 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.923 108.2 50.8 -67.8 -40.1 14.3 -3.7 21.7 70 70 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 108.6 52.7 -61.4 -44.8 12.6 -0.5 23.2 71 71 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.889 109.1 48.7 -61.0 -39.7 16.1 1.0 23.7 72 72 A S H X S+ 0 0 58 -4,-2.0 4,-3.8 2,-0.2 5,-0.2 0.921 109.1 53.5 -68.1 -34.1 17.0 0.4 20.0 73 73 A L H X S+ 0 0 26 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.880 110.6 47.5 -63.1 -39.2 13.7 2.0 18.9 74 74 A a H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 3,-0.2 0.968 116.3 42.9 -63.1 -53.7 14.5 5.0 21.0 75 75 A K H ><5S+ 0 0 66 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.916 112.1 53.2 -61.8 -41.5 18.1 5.2 19.6 76 76 A Q H 3<5S+ 0 0 150 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.850 114.6 42.7 -60.2 -37.4 17.0 4.5 16.0 77 77 A N T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.252 113.4-117.5 -95.5 10.7 14.4 7.4 16.3 78 78 A R T < 5 + 0 0 104 -3,-1.5 2,-0.4 1,-0.2 217,-0.3 0.936 68.0 135.7 56.3 49.9 16.8 9.7 18.1 79 79 A L < - 0 0 0 -5,-2.2 2,-0.3 215,-0.1 -31,-0.3 -0.965 59.6-121.5-124.2 140.2 14.8 10.0 21.2 80 80 A I E -e 48 0B 0 -33,-2.9 -31,-2.2 -2,-0.4 2,-0.6 -0.625 34.7-134.0 -76.6 140.6 16.2 9.8 24.8 81 81 A a E -ef 49 121B 0 39,-3.0 41,-2.1 -2,-0.3 2,-0.8 -0.889 18.6-167.7-103.2 113.7 14.4 6.9 26.4 82 82 A M E -ef 50 122B 0 -33,-3.1 -31,-3.3 -2,-0.6 2,-0.3 -0.859 14.4-160.9 -98.7 108.4 12.9 7.3 29.9 83 83 A L E -ef 51 123B 0 39,-2.3 41,-2.7 -2,-0.8 2,-0.3 -0.699 11.1-175.8 -87.1 140.5 12.0 3.8 31.1 84 84 A E E -ef 52 124B 0 -33,-2.0 -31,-2.5 -2,-0.3 2,-0.7 -0.996 27.2-134.3-138.9 142.1 9.5 3.5 34.0 85 85 A V E > -e 53 0B 0 39,-1.1 42,-2.6 -2,-0.3 3,-0.6 -0.827 20.3-171.6 -90.2 114.1 8.1 0.7 36.1 86 86 A H G > + 0 0 19 -33,-2.8 3,-1.8 -2,-0.7 -32,-0.2 0.721 65.9 83.2 -83.3 -17.8 4.3 1.3 36.3 87 87 A D G 3 S+ 0 0 0 -34,-0.3 11,-2.5 1,-0.3 -1,-0.2 0.646 78.1 68.0 -60.3 -21.3 3.4 -1.3 38.9 88 88 A T G X S+ 0 0 0 -3,-0.6 3,-1.8 9,-0.2 -1,-0.3 0.612 70.7 135.7 -73.2 -13.3 4.3 0.8 41.9 89 89 A T T < S- 0 0 12 -3,-1.8 39,-0.2 1,-0.3 42,-0.1 -0.108 77.4 -8.5 -45.1 121.2 1.4 3.2 41.3 90 90 A G T >> S- 0 0 0 38,-2.8 4,-3.5 40,-0.3 3,-2.2 0.643 82.9-177.9 68.1 20.9 -0.5 4.1 44.4 91 91 A Y T <4 + 0 0 77 -3,-1.8 40,-1.9 37,-0.4 42,-0.2 -0.160 68.2 33.6 -55.9 134.6 1.2 1.7 46.7 92 92 A G T 34 S+ 0 0 33 2,-0.4 -1,-0.3 38,-0.2 44,-0.1 0.140 133.4 34.3 102.4 -16.2 -0.3 1.8 50.3 93 93 A E T <4 S+ 0 0 102 -3,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.542 102.1 73.8-126.9 -56.0 -3.7 2.5 48.8 94 94 A Q S >< S- 0 0 65 -4,-3.5 3,-1.4 -6,-0.1 -2,-0.4 -0.492 86.2-120.2 -69.7 121.4 -3.9 0.7 45.4 95 95 A S T 3 S+ 0 0 106 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 -0.335 92.0 13.6 -65.0 136.1 -4.4 -3.1 46.0 96 96 A G T 3 S+ 0 0 49 1,-0.2 -1,-0.2 -2,-0.1 2,-0.1 0.626 87.1 152.8 76.7 15.4 -1.6 -5.2 44.5 97 97 A A < - 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